3-Nitrophenylboronic acid

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Names

[ CAS No. ]:
13331-27-6

[ Name ]:
3-Nitrophenylboronic acid

[Synonym ]:
3-Nitrophenylboronic acid
(3-Nitrophenyl)boronic acid
MFCD00007193
Boronic acid, B-(3-nitrophenyl)-
3-Nitrobenzeneboronic acid

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
363.3±44.0 °C at 760 mmHg

[ Melting Point ]:
284-285 °C (dec.)(lit.)

[ Molecular Formula ]:
C6H6BNO4

[ Molecular Weight ]:
166.93

[ Flash Point ]:
173.5±28.4 °C

[ Exact Mass ]:
167.038986

[ PSA ]:
86.28000

[ LogP ]:
1.32

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.574

[ Storage condition ]:
0-6°C

[ Water Solubility ]:
soluble in hot water

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY8980000
CHEMICAL NAME :
Benzeneboronic acid, m-nitro-
CAS REGISTRY NUMBER :
13331-27-6
BEILSTEIN REFERENCE NO. :
2938638
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C6-H6-B-N-O4
MOLECULAR WEIGHT :
166.94
WISWESSER LINE NOTATION :
WNR CBQQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01859

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
CY8980000

[ HS Code ]:
29310095

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-Nitrophenylboronic acid pinacol ester
  • Phenylboronic acid
  • 3-Bromonitrobenzene

DownStream

  • D-TarB-NO2,2-(3-Nitrophenyl)-1,3,2-dioxaborolane-4S,5S-dicarboxylic acid
  • 1-(3-nitrophenyl)hexan-1-one
  • 1-Hexanoic acid
  • 3-(3-Nitrophenyl)pyridine
  • 2-(3-nitrophenyl)pyridine
  • 4-(3-Nitrophenyl)pyridine
  • 1-nitro-3-(1,2,2-trifluorovinyl)benzene
  • nitrobenzene
  • Methyl 3'-nitro-[1,1'-biphenyl]-3-carboxylate
  • 1-(4-methylphenyl)sulfonyl-3-nitrobenzene

Customs

[ HS Code ]: 2931900090

[ Summary ]:
2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

Articles

Boronate affinity-assisted MEKC separation of highly hydrophilic urinary nucleosides using imidazolium-based ionic liquid type surfactant as pseudostationary phase.

Electrophoresis 36(5) , 784-95, (2015)

In this work, we extend our investigations regarding the separation of urinary nucleosides by MEKC with the ionic liquid type surfactant 1-tetradecyl-3-methylimidazolium bromide (C14MImBr). We study t...

A pharmacological MRI assessment of dizocilpine (MK-801) in the 3-nitroproprionic acid-lesioned rat.

Neurosci. Lett. 444(1) , 42-7, (2008)

The NMDA-antagonist dizocilpine (MK-801) is known to have dissociative, neurotoxic and neuroprotective properties. Although its neuroprotective properties are well documented, at present only ex vivo ...

Boronic acid catalyzed ene carbocyclization of acetylenic dicarbonyl compounds.

Chem. Commun. (Camb.) 46 , 2191, (2010)

The discovery and development of an efficient ene carbocyclization of 1,3-dicarbonyl compounds bearing pendent terminal alkyne substituents under 3-nitrobenzeneboronic acid catalysis is described. The...


More Articles

Related Compounds

  • 4-Bromo-3-nitrophenylboronic acid
  • 4-Amino-3-nitrophenylboronic acid
  • 4-Acetyl-3-nitrophenylboronic acid
  • 4-Methyl-3-nitrophenylboronic acid
  • 2-Fluoro-3-nitrophenylboronic Acid
  • 4-Chloro-3-nitrophenylboronic acid
  • Ethyl 4-methyl-2-({[3-(2-methylpropyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetyl}amino)-1,3-thiazole-5-carboxylate
  • Methyl 2-{[(2-methyl-5-phenyl-1,3-thiazol-4-yl)carbonyl]amino}-5-(propan-2-yl)-1,3-thiazole-4-carboxylate
  • 2-(8-bromo-2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
  • 2-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)-N-[5-(tetrahydrofuran-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
  • N-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-3-(4-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide
  • N-[2-(6-fluoro-1H-indol-1-yl)ethyl]-1-methyl-1H-indazole-3-carboxamide
  • N-{1-[3-(dimethylamino)propyl]-2-methyl-1H-benzimidazol-5-yl}-1-(2-methoxyethyl)-1H-indole-2-carboxamide
  • N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
  • N-(4-carbamoylphenyl)-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxamide
  • 3-((4,6-dimethylpyrimidin-2-yl)amino)-N-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)benzamide
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